SCHEMBL327213

SCHEMBL327213

C=CCC(C(=O)O)S(=O)(=O)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ HTT P42858 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PSMB8 P28062 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HPGD P15428 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11331981 0.84 PSMB8 (0.51) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL6029431 0.74 ALDH1A1 (1.00) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL13101265 0.73 CYP2C19 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL24214205 0.72 PSMB8 (0.50) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL21682157 0.71 PSMB8 (0.69) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL31123708 0.71 PSMB8 (0.69) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL10047096 0.71 PSMB8 (0.64) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL16625012 0.71 ALDH1A1 (0.60) ALDH1A1L3MBTL1HTTLMNAMAPT
Benzene SCHEMBL28000606 0.70 PSMB8 (0.72) ALDH1A1L3MBTL1HTTLMNAMAPT
SCHEMBL10700457 0.70 ALDH1A1 (0.63) ALDH1A1L3MBTL1HTTLMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717743-B2 Intermediates and methods for the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-21 — — US disclosed
US-20190263826-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-08-29 — — US disclosed
US-20180037588-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-08 — — US disclosed
US-9802953-B2 Intermediates and methods for the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-31 — — US disclosed
US-9604993-B2 Intermediates and methods for the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-03-28 — — US disclosed
EP-2578576-B9 Intermediates for the synthesis of halichondrin B analogs EISAI R&D MAN CO LTD (JP) 2016-09-14 — — EP disclosed
US-20160214992-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-07-28 — — US disclosed
EP-2578576-B1 Intermediates for the synthesis of halichondrin B analogs EISAI R&D MAN CO LTD (JP) 2016-03-23 — — EP disclosed
US-20150225415-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-08-13 — — US disclosed
US-8987479-B2 Intermediates and methods for the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-03-24 — — US disclosed
EP-2200992-B1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MAN CO LTD (JP) 2014-02-26 — — EP disclosed
EP-2578576-A1 Intermediates for the synthesis of halichondrin B analogs Eisai R&D Management Co., Ltd. (JP) 2013-04-10 — — EP disclosed
US-20120095242-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 — — US disclosed
US-8093410-B2 Intermediates and methods for the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-01-10 — — US disclosed
EP-2200992-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS Eisai R&D Management Co., Ltd. (JP) 2010-06-30 — — EP disclosed
US-20090198074-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI CO., LTD. (JP) 2009-08-06 — — US disclosed
WO-2009046308-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190263826-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885
US-10717743-B2 Intermediates and methods for the synthesis of halichondrin B analogs DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885
US-20160214992-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885
US-20180037588-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885
US-20120095242-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885
US-20150225415-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885
US-20090198074-A1 INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS DHPS, LSS, BMP2 ALDH1A1 2434/4885L3MBTL1 3417/4885HTT 2130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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